MMsINC Database Search


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MMsINC code: MMs00555824

Type: Neutral
Formula: C₁₉H₁₄N₂O₄

SMILES:

o1c2cc(NC(=O)C=3C=CC(=O)NC=3)c(OC)cc2c2c1cccc2

InChI:

InChI=1/C19H14N2O4/c1-24-17-8-13-12-4-2-3-5-15(12)25-16(13)9-14(17)21-19(23)11-6-7-18(22)20-10-11/h2-10H,1H3,(H,20,22)(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.0354 kcal/mol

Physical Properties
Molecular Weight: 334.331 g/mol	logS: -6.03875	SlogP: 3.103	Reactive groups: 0

Topological Properties
Globularity: 0.0118596	Sterimol/B1: 2.35489	Sterimol/B2: 2.41296	Sterimol/B3: 2.85088
Sterimol/B4: 8.58425	Sterimol/L: 18.3378

Surface and Volume Properties
Accessible surface: 575.005	Positive charged surface: 335.07	Negative charged surface: 227.44	Volume: 300.75
Hydrophobic surface: 441.364	Hydrophilic surface: 133.641

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.